Information card for entry 7041496

Structure parameters

• Formula: C47 H41 Br2 Cl5 N4 O8 P2 Re2
• Calculated formula: C46 H40 Br2 Cl2 N4 O8 P2 Re2
• SMILES: Br[Re]1(C#[O])(C#[O])(C#[O])[n]2nc(OCCCC[P](c3ccccc3)(c3ccccc3)[Re]([n]3nc(OCCCC[P]1(c1ccccc1)c1ccccc1)ccc3Cl)(Br)(C#[O])(C#[O])C#[O])ccc2Cl
• Title of publication: The binuclear dual emitter [Br(CO)3Re(PN)(NP)Re(CO)3Br] (PN): 3-chloro-6-(4-diphenylphosphinyl)butoxypyridazine, a new bridging P,N-bidentate ligand resulting from the ring opening of tetrahydrofuran.
• Authors of publication: Saldías, Marianela; Manzur, Jorge; Palacios, Rodrigo E.; Gómez, María L; Fuente, Julio De La; Günther, Germán; Pizarro, Nancy; Vega, Andrés
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1567 - 1576
• a: 14.61 ± 0.002 Å
• b: 16.549 ± 0.003 Å
• c: 14.945 ± 0.002 Å
• α: 90°
• β: 106.963 ± 0.002°
• γ: 90°
• Cell volume: 3456.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No